5-methoxy-4-nitro-1H-pyrazole

C4H5N3O3 — CID 4165828

IUPAC5-methoxy-4-nitro-1H-pyrazole
SMILESCOc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C4H5N3O3/c1-10-4-3(7(8)9)2-5-6-4/h2H,1H3,(H,5,6)
InChIKeyGLNYWXCDHONDOZ-UHFFFAOYSA-N
MW143.10 g/mol
LogP0.33
Rot. Bonds2

About 5-methoxy-4-nitro-1H-pyrazole

5-methoxy-4-nitro-1H-pyrazole (PubChem CID 4165828) has the molecular formula C4H5N3O3 and a molecular weight of 143.10 g/mol. Its IUPAC name is 5-methoxy-4-nitro-1H-pyrazole.

Molecular Properties

Compound Name5-methoxy-4-nitro-1H-pyrazole
PubChem CID4165828
Molecular FormulaC4H5N3O3
Molecular Weight143.10 g/mol
Exact Mass143.03
IUPAC Name5-methoxy-4-nitro-1H-pyrazole
SMILESCOc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C4H5N3O3/c1-10-4-3(7(8)9)2-5-6-4/h2H,1H3,(H,5,6)
InChIKeyGLNYWXCDHONDOZ-UHFFFAOYSA-N
XLogP0.33
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-nitro-1H-pyrazole?
The IUPAC name of 5-methoxy-4-nitro-1H-pyrazole (CID 4165828) is 5-methoxy-4-nitro-1H-pyrazole.
What is the SMILES notation for 5-methoxy-4-nitro-1H-pyrazole?
The canonical SMILES for 5-methoxy-4-nitro-1H-pyrazole is COc1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of 5-methoxy-4-nitro-1H-pyrazole?
The InChIKey is GLNYWXCDHONDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O3/c1-10-4-3(7(8)9)2-5-6-4/h2H,1H3,(H,5,6).
What are the key properties of 5-methoxy-4-nitro-1H-pyrazole?
5-methoxy-4-nitro-1H-pyrazole has a molecular weight of 143.10 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-nitro-1H-pyrazole is sourced from PubChem (CID 4165828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).